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89185-45-5

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Basic Information
CAS No.: 89185-45-5
Name: 7-METHYL-2-PHENYLIMIDAZO[1,2-A]PYRIDIN-3-AMINE
Article Data: 2
Molecular Structure:
Molecular Structure of 89185-45-5 (7-METHYL-2-PHENYLIMIDAZO[1,2-A]PYRIDIN-3-AMINE)
Formula: C14H13N3
Molecular Weight: 223.2731
Synonyms: 7-Methyl-2-phenylimidazo[1,2-a]pyridin-3-amine; imidazo[1,2-a]pyridin-3-amine, 7-methyl-2-phenyl-
Density: 1.21g/cm3
PSA: 43.32000
LogP: 3.47310
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Specification

The Imidazo[1,2-a]pyridin-3-amine, 7-methyl-2-phenyl-, with CAS registry number 89185-45-5, has the systematic name of 7-methyl-2-phenylimidazo[1,2-a]pyridin-3-amine. Its molecular weight is 223.2731. And the chemical formula of this chemical is C14H13N3.

Physical properties of Imidazo[1,2-a]pyridin-3-amine, 7-methyl-2-phenyl-: (1)ACD/LogP: 3.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.93; (4)ACD/LogD (pH 7.4): 2.32; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 20.42; (7)ACD/KOC (pH 5.5): 6.7; (8)ACD/KOC (pH 7.4): 163.62; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 20.54 Å2; (13)Index of Refraction: 1.663; (14)Molar Refractivity: 68.15 cm3; (15)Molar Volume: 183.8 cm3; (16)Polarizability: 27.01×10-24cm3; (17)Surface Tension: 48 dyne/cm; (18)Density: 1.21 g/cm3.

Preparation: this chemical can be prepared by (4-methyl-pyridin-2-ylimino)-phenyl-acetonitrile. This reaction will need reagent triethyl phosphite and solvent toluene. The reaction time is 3 hour(s) with reaction temperature of 120 ℃. The yield is about 50%.

You can still convert the following datas into molecular structure:
(1)SMILES: n1c(c(n2ccc(cc12)C)N)c3ccccc3
(2)InChI: InChI=1/C14H13N3/c1-10-7-8-17-12(9-10)16-13(14(17)15)11-5-3-2-4-6-11/h2-9H,15H2,1H3
(3)InChIKey: FBFCRKNRKASWEW-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C14H13N3/c1-10-7-8-17-12(9-10)16-13(14(17)15)11-5-3-2-4-6-11/h2-9H,15H2,1H3
(5)Std. InChIKey: FBFCRKNRKASWEW-UHFFFAOYSA-N